[[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea

C12H18N4O — CID 168531880

IUPAC[[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea
SMILESCC(c1cccc(C=NNC(N)=O)c1)N(C)C
InChIInChI=1S/C12H18N4O/c1-9(16(2)3)11-6-4-5-10(7-11)8-14-15-12(13)17/h4-9H,1-3H3,(H3,13,15,17)
InChIKeyUVIXJCFKJYWQHM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.31
Rot. Bonds4

About [[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea

[[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea (PubChem CID 168531880) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is [[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea
PubChem CID168531880
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name[[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea
SMILESCC(c1cccc(C=NNC(N)=O)c1)N(C)C
InChIInChI=1S/C12H18N4O/c1-9(16(2)3)11-6-4-5-10(7-11)8-14-15-12(13)17/h4-9H,1-3H3,(H3,13,15,17)
InChIKeyUVIXJCFKJYWQHM-UHFFFAOYSA-N
XLogP1.31
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide
CID 168533468
[[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea
CID 168532138
[[3-(propan-2-yloxymethyl)phenyl]methylideneamino]urea
CID 168532038
[(E)-benzylideneamino]urea
CID 6861419
[[4-[1-(dimethylamino)ethyl]phenyl]methylideneamino]thiourea
CID 168534267
[[3-(4-tert-butylphenyl)phenyl]methylideneamino]urea
CID 168532530
[[3-(cyanomethyl)phenyl]methylideneamino]urea
CID 168534094
4-[[(E)-(3-propan-2-ylphenyl)methylideneamino]carbamoyl]benzoic acid
CID 143556975
[[3-(butoxymethyl)phenyl]methylideneamino]urea
CID 168532062
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
[[3-(5-methylthiophen-2-yl)phenyl]methylideneamino]urea
CID 168533458
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158

Frequently Asked Questions

What is the IUPAC name of [[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea?
The IUPAC name of [[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea (CID 168531880) is [[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea.
What is the SMILES notation for [[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea?
The canonical SMILES for [[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea is CC(c1cccc(C=NNC(N)=O)c1)N(C)C.
What is the InChIKey of [[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea?
The InChIKey is UVIXJCFKJYWQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(16(2)3)11-6-4-5-10(7-11)8-14-15-12(13)17/h4-9H,1-3H3,(H3,13,15,17).
What are the key properties of [[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea?
[[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea has a molecular weight of 234.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea is sourced from PubChem (CID 168531880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).